Geometry & MOs

Info

ID:	21765
PubChem CID:	589820
Reduced:	ClN2O2C6H7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	174.019605
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	8.44
IP(EA), eV:	-9.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-ethylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C(=O)O)Cl

DOS

IR

Vibrations